N,N,N'-tri(propan-2-yl)carbamimidoyl chloride

C10H21ClN2 — CID 54266519

IUPACN,N,N'-tri(propan-2-yl)carbamimidoyl chloride
SMILESCC(C)/N=C(\Cl)N(C(C)C)C(C)C
InChIInChI=1S/C10H21ClN2/c1-7(2)12-10(11)13(8(3)4)9(5)6/h7-9H,1-6H3/b12-10+
InChIKeyRHDFVQJATLLBES-ZRDIBKRKSA-N
MW204.74 g/mol
LogP3.11
Rot. Bonds3

About N,N,N'-tri(propan-2-yl)carbamimidoyl chloride

N,N,N'-tri(propan-2-yl)carbamimidoyl chloride (PubChem CID 54266519) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is N,N,N'-tri(propan-2-yl)carbamimidoyl chloride.

Molecular Properties

Compound NameN,N,N'-tri(propan-2-yl)carbamimidoyl chloride
PubChem CID54266519
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC NameN,N,N'-tri(propan-2-yl)carbamimidoyl chloride
SMILESCC(C)/N=C(\Cl)N(C(C)C)C(C)C
InChIInChI=1S/C10H21ClN2/c1-7(2)12-10(11)13(8(3)4)9(5)6/h7-9H,1-6H3/b12-10+
InChIKeyRHDFVQJATLLBES-ZRDIBKRKSA-N
XLogP3.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-tri(propan-2-yl)carbamimidoyl chloride?
The IUPAC name of N,N,N'-tri(propan-2-yl)carbamimidoyl chloride (CID 54266519) is N,N,N'-tri(propan-2-yl)carbamimidoyl chloride.
What is the SMILES notation for N,N,N'-tri(propan-2-yl)carbamimidoyl chloride?
The canonical SMILES for N,N,N'-tri(propan-2-yl)carbamimidoyl chloride is CC(C)/N=C(\Cl)N(C(C)C)C(C)C.
What is the InChIKey of N,N,N'-tri(propan-2-yl)carbamimidoyl chloride?
The InChIKey is RHDFVQJATLLBES-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H21ClN2/c1-7(2)12-10(11)13(8(3)4)9(5)6/h7-9H,1-6H3/b12-10+.
What are the key properties of N,N,N'-tri(propan-2-yl)carbamimidoyl chloride?
N,N,N'-tri(propan-2-yl)carbamimidoyl chloride has a molecular weight of 204.74 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-tri(propan-2-yl)carbamimidoyl chloride is sourced from PubChem (CID 54266519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).